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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Dopamine receptors; D2 & D4' and Ligand = 'BDBM85136'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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2.5n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 1011-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CC0Z63
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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3.60n/an/an/an/an/an/an/an/a



Merck Sharp and Dohme

Curated by ChEMBL


Assay Description
Binding affinity towards human dopamine receptor D4


J Med Chem 44: 477-501 (2001)


BindingDB Entry DOI: 10.7270/Q24Q7VQH
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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3.60n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by PDSP Ki Database




J Pharmacol Exp Ther 282: 1011-9 (1997)


BindingDB Entry DOI: 10.7270/Q2CC0Z63
More data for this
Ligand-Target Pair
Dopamine receptors; D2 & D4


(Homo sapiens (Human))
BDBM85136
PNG
(CAS_188942 | CHEMBL103772 | NGD 94-1 | NSC_188942)
Show SMILES C(N1CCN(CC1)c1ncccn1)c1cnc([nH]1)-c1ccccc1
Show InChI InChI=1S/C18H20N6/c1-2-5-15(6-3-1)17-21-13-16(22-17)14-23-9-11-24(12-10-23)18-19-7-4-8-20-18/h1-8,13H,9-12,14H2,(H,21,22)
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CHEMBL
PC cid
PC sid
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Article
PubMed
3.80n/an/an/an/an/an/an/an/a



Neurogen Corporation

Curated by ChEMBL


Assay Description
Binding affinity on human Dopamine receptor D4 expressed in CHO cells using radioligand [3H]-YM 09151


J Med Chem 40: 1-3 (1997)


Article DOI: 10.1021/jm960637m
BindingDB Entry DOI: 10.7270/Q21C1W0V
More data for this
Ligand-Target Pair